(5E)-2-azanyl-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one; ethanoic acid

Systemtic Name: (5E)-2-azanyl-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one; ethanoic acid Openeye Name: acetic acid; (5E)-2-amino-5-[(4-nitrophenyl)methylene]thiazol-4-one CAS Name: acetic acid; (5E)-2-amino-5-[(4-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: acetic acid; (5E)-2-amino-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: acetic acid; (5E)-2-amino-5-(4-nitrobenzylidene)-2-thiazolin-4-one Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C=C2C(=O)N=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1/C=C/2\C(=O)N=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O3S.C2H4O2/c11-10-12-9(14)8(17-10)5-6-1-3-7(4-2-6)13(15)16;1-2(3)4/h1-5H,(H2,11,12,14);1H3,(H,3,4)/b8-5+;